N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine

C14H14FN — CID 167781033

IUPACN-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine
SMILESC#CC#CC(C)(C)NCc1ccccc1F
InChIInChI=1S/C14H14FN/c1-4-5-10-14(2,3)16-11-12-8-6-7-9-13(12)15/h1,6-9,16H,11H2,2-3H3
InChIKeyDBLASHXQRDMOAH-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.33
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine

N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine (PubChem CID 167781033) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine
PubChem CID167781033
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine
SMILESC#CC#CC(C)(C)NCc1ccccc1F
InChIInChI=1S/C14H14FN/c1-4-5-10-14(2,3)16-11-12-8-6-7-9-13(12)15/h1,6-9,16H,11H2,2-3H3
InChIKeyDBLASHXQRDMOAH-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 28702608
N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331476
ethane;(2-fluorophenyl)methylhydrazine
CID 142817687
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol
CID 111977207
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
2-[(2-fluorophenyl)methylamino]acetonitrile
CID 28582566
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726653
2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 82109819
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine (CID 167781033) is N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine is C#CC#CC(C)(C)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine?
The InChIKey is DBLASHXQRDMOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-4-5-10-14(2,3)16-11-12-8-6-7-9-13(12)15/h1,6-9,16H,11H2,2-3H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine?
N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine has a molecular weight of 215.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine is sourced from PubChem (CID 167781033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).